UCSF

ZINC20434184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.95 -4.88 -55.23 6 7 1 126 286.333 3
Hi High (pH 8-9.5) -0.95 -6.16 -25.43 5 7 0 122 285.325 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )